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beta-Caryophyllone
[CAS# 109119-65-5]

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Identification
Name beta-Caryophyllone
Synonyms Tricyclo(6.3.1.02,5)Dodecan-11-One, 4,4,8-Trimethyl-, (1S-(1Alpha,2Beta,5Alpha,8Alpha))-; Beta-Caryophyllone
Molecular Structure CAS#: 109119-65-5, beta-Caryophyllone
Molecular Formula C15H24O
Molecular Weight 220.35
CAS Registry Number 109119-65-5
SMILES [C@H]12[C@@H](C(C1)(C)C)CC[C@]3(C[C@@H]2C(=O)CC3)C
InChI 1S/C15H24O/c1-14(2)8-10-11-9-15(3,6-4-12(10)14)7-5-13(11)16/h10-12H,4-9H2,1-3H3/t10-,11-,12-,15+/m0/s1
InChIKey JLZBTPJKBKNFEG-JUFZMCDQSA-N
Properties
Density 0.981g/cm3 (Cal.)
Boiling point 297.424°C at 760 mmHg (Cal.)
Flash point 126.091°C (Cal.)
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